N-[2-(2-trimethylsilylethylsulfanyl)ethyl]prop-2-en-1-amine

C10H23NSSi — CID 15590159

IUPACN-[2-(2-trimethylsilylethylsulfanyl)ethyl]prop-2-en-1-amine
SMILESC=CCNCCSCC[Si](C)(C)C
InChIInChI=1S/C10H23NSSi/c1-5-6-11-7-8-12-9-10-13(2,3)4/h5,11H,1,6-10H2,2-4H3
InChIKeyWXXXNMBPTKKUTL-UHFFFAOYSA-N
MW217.45 g/mol
LogP2.83
Rot. Bonds8

About N-[2-(2-trimethylsilylethylsulfanyl)ethyl]prop-2-en-1-amine

N-[2-(2-trimethylsilylethylsulfanyl)ethyl]prop-2-en-1-amine (PubChem CID 15590159) has the molecular formula C10H23NSSi and a molecular weight of 217.45 g/mol. Its IUPAC name is N-[2-(2-trimethylsilylethylsulfanyl)ethyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-[2-(2-trimethylsilylethylsulfanyl)ethyl]prop-2-en-1-amine
PubChem CID15590159
Molecular FormulaC10H23NSSi
Molecular Weight217.45 g/mol
Exact Mass217.13
IUPAC NameN-[2-(2-trimethylsilylethylsulfanyl)ethyl]prop-2-en-1-amine
SMILESC=CCNCCSCC[Si](C)(C)C
InChIInChI=1S/C10H23NSSi/c1-5-6-11-7-8-12-9-10-13(2,3)4/h5,11H,1,6-10H2,2-4H3
InChIKeyWXXXNMBPTKKUTL-UHFFFAOYSA-N
XLogP2.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.45
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-trimethylsilylethylsulfanyl)ethyl]prop-2-en-1-amine?
The IUPAC name of N-[2-(2-trimethylsilylethylsulfanyl)ethyl]prop-2-en-1-amine (CID 15590159) is N-[2-(2-trimethylsilylethylsulfanyl)ethyl]prop-2-en-1-amine.
What is the SMILES notation for N-[2-(2-trimethylsilylethylsulfanyl)ethyl]prop-2-en-1-amine?
The canonical SMILES for N-[2-(2-trimethylsilylethylsulfanyl)ethyl]prop-2-en-1-amine is C=CCNCCSCC[Si](C)(C)C.
What is the InChIKey of N-[2-(2-trimethylsilylethylsulfanyl)ethyl]prop-2-en-1-amine?
The InChIKey is WXXXNMBPTKKUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NSSi/c1-5-6-11-7-8-12-9-10-13(2,3)4/h5,11H,1,6-10H2,2-4H3.
What are the key properties of N-[2-(2-trimethylsilylethylsulfanyl)ethyl]prop-2-en-1-amine?
N-[2-(2-trimethylsilylethylsulfanyl)ethyl]prop-2-en-1-amine has a molecular weight of 217.45 g/mol, XLogP of 2.83, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-trimethylsilylethylsulfanyl)ethyl]prop-2-en-1-amine is sourced from PubChem (CID 15590159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).